N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

C21H27N3O2S — CID 24790056

IUPACN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C21H27N3O2S/c1-16-15-27-19(22-16)14-23(2)21(26)18-10-11-20(25)24(13-18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3
InChIKeyGFNNQUUAIYHNIG-UHFFFAOYSA-N
MW385.53 g/mol
LogP3.28
Rot. Bonds7

About N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide

N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (PubChem CID 24790056) has the molecular formula C21H27N3O2S and a molecular weight of 385.53 g/mol. Its IUPAC name is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
PubChem CID24790056
Molecular FormulaC21H27N3O2S
Molecular Weight385.53 g/mol
Exact Mass385.18
IUPAC NameN-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide
SMILESCc1csc(CN(C)C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)n1
InChIInChI=1S/C21H27N3O2S/c1-16-15-27-19(22-16)14-23(2)21(26)18-10-11-20(25)24(13-18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3
InChIKeyGFNNQUUAIYHNIG-UHFFFAOYSA-N
XLogP3.28
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The IUPAC name of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide (CID 24790056) is N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide.
What is the SMILES notation for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The canonical SMILES for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is Cc1csc(CN(C)C(=O)C2CCC(=O)N(CCCc3ccccc3)C2)n1.
What is the InChIKey of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
The InChIKey is GFNNQUUAIYHNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2S/c1-16-15-27-19(22-16)14-23(2)21(26)18-10-11-20(25)24(13-18)12-6-9-17-7-4-3-5-8-17/h3-5,7-8,15,18H,6,9-14H2,1-2H3.
What are the key properties of N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide?
N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide has a molecular weight of 385.53 g/mol, XLogP of 3.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-6-oxo-1-(3-phenylpropyl)piperidine-3-carboxamide is sourced from PubChem (CID 24790056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).